5-[[1,3-bis(chloranyl)-2-methyl-propan-2-yl]amino]-7-chloranyl-4-methyl-3H-pyrimido[4,5-b]quinolin-2-one

Systemtic Name: 5-[[1,3-bis(chloranyl)-2-methyl-propan-2-yl]amino]-7-chloranyl-4-methyl-3H-pyrimido[4,5-b]quinolin-2-one Openeye Name: 7-chloro-5-[[2-chloro-1-(chloromethyl)-1-methyl-ethyl]amino]-4-methyl-3H-pyrimido[4,5-b]quinolin-2-one CAS Name: 7-chloro-5-[(1,3-dichloro-2-methylpropan-2-yl)amino]-4-methyl-3H-pyrimido[4,5-b]quinolin-2-one IUPAC Name: 7-chloro-5-[(1,3-dichloro-2-methylpropan-2-yl)amino]-4-methyl-3H-pyrimido[4,5-b]quinolin-2-one Traditional Name: 7-chloro-5-[[2-chloro-1-(chloromethyl)-1-methyl-ethyl]amino]-4-methyl-3H-pyrimido[4,5-b]quinolin-2-one Formula: C16H15Cl3N4O MolecularWeight: 385.6755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C3C=C(C=CC3=NC2=NC(=O)N1)Cl)NC(C)(CCl)CCl

Isomeric SMILES

CC1=C2C(=C3C=C(C=CC3=NC2=NC(=O)N1)Cl)NC(C)(CCl)CCl

InChI

InChI=1S/C16H15Cl3N4O/c1-8-12-13(23-16(2,6-17)7-18)10-5-9(19)3-4-11(10)21-14(12)22-15(24)20-8/h3-5H,6-7H2,1-2H3,(H2,20,21,22,23,24)