2-azanyl-5,5,7,8,10-pentamethyl-1H-pyrimido[4,5-b]quinolin-4-one; ethanoic acid

Systemtic Name: 2-azanyl-5,5,7,8,10-pentamethyl-1H-pyrimido[4,5-b]quinolin-4-one; ethanoic acid Openeye Name: acetic acid; 2-amino-5,5,7,8,10-pentamethyl-1H-pyrimido[4,5-b]quinolin-4-one CAS Name: acetic acid; 2-amino-5,5,7,8,10-pentamethyl-1H-pyrimido[4,5-b]quinolin-4-one IUPAC Name: acetic acid; 2-amino-5,5,7,8,10-pentamethyl-1H-pyrimido[4,5-b]quinolin-4-one Traditional Name: acetic acid; 2-amino-5,5,7,8,10-pentamethyl-1H-pyrimido[4,5-b]quinolin-4-one Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(C3=C(N2C)NC(=NC3=O)N)(C)C)C.CC(=O)O

Isomeric SMILES

CC1=C(C=C2C(=C1)C(C3=C(N2C)NC(=NC3=O)N)(C)C)C.CC(=O)O

InChI

InChI=1S/C16H20N4O.C2H4O2/c1-8-6-10-11(7-9(8)2)20(5)13-12(16(10,3)4)14(21)19-15(17)18-13;1-2(3)4/h6-7H,1-5H3,(H3,17,18,19,21);1H3,(H,3,4)