6-methyl-2-[(4-methylquinazolin-2-yl)amino]-5-propyl-1H-pyrimidin-3-ium-4-one

Systemtic Name: 6-methyl-2-[(4-methylquinazolin-2-yl)amino]-5-propyl-1H-pyrimidin-3-ium-4-one Openeye Name: 6-methyl-2-[(4-methylquinazolin-2-yl)amino]-5-propyl-1H-pyrimidin-3-ium-4-one CAS Name: 6-methyl-2-[(4-methyl-2-quinazolinyl)amino]-5-propyl-1H-pyrimidin-3-ium-4-one IUPAC Name: 6-methyl-2-[(4-methylquinazolin-2-yl)amino]-5-propyl-1H-pyrimidin-3-ium-4-one Traditional Name: 6-methyl-2-[(4-methylquinazolin-2-yl)amino]-5-propyl-1H-pyrimidin-3-ium-4-one Formula: C17H20N5O+ MolecularWeight: 310.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=[NH+]C1=O)NC2=NC3=CC=CC=C3C(=N2)C)C

Isomeric SMILES

CCCC1=C(NC(=[NH+]C1=O)NC2=NC3=CC=CC=C3C(=N2)C)C

InChI

InChI=1S/C17H19N5O/c1-4-7-13-11(3)19-17(21-15(13)23)22-16-18-10(2)12-8-5-6-9-14(12)20-16/h5-6,8-9H,4,7H2,1-3H3,(H2,18,19,20,21,22,23)/p+1