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The 5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione hydrochloride with the CAS number 908010-94-6 is also called Pyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione,5,6,7,8-tetrahydro-. The systematic name is 5,6,7,8-tetrahydro-1H-pyrido[3,4-e]pyrimidine-2,4-dione hydrochloride. Its molecular formula is C7H9N3O2.HCl. The product category is Chiral Chemicals.
The properties of the 5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione hydrochloride are: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 70.23Å2; (7)Flash Point: 175.5 °C; (8)Enthalpy of Vaporization: 62.51 kJ/mol; (9)Boiling Point: 366.6 °C at 760 mmHg; (10)Vapour Pressure: 9.94×10-6 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C1NC(=O)NC=2CCNCC1=2
(2)InChI: InChI=1/C7H9N3O2.ClH/c11-6-4-3-8-2-1-5(4)9-7(12)10-6;/h8H,1-3H2,(H2,9,10,11,12);1H
(3)InChIKey: KSZSWTZRQBKBCB-UHFFFAOYAK
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