4-azanyl-8,8-dimethyl-5-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one

Systemtic Name: 4-azanyl-8,8-dimethyl-5-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one Openeye Name: 4-amino-8,8-dimethyl-5-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one CAS Name: 4-amino-8,8-dimethyl-5-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one IUPAC Name: 4-amino-8,8-dimethyl-5-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one Traditional Name: 4-amino-8,8-dimethyl-5-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(NC(=S)N=C3N2)N)C4=CC5=C(C=C4[N+](=O)[O-])OCO5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(NC(=S)N=C3N2)N)C4=CC5=C(C=C4[N+](=O)[O-])OCO5)C(=O)C1)C

InChI

InChI=1S/C20H19N5O5S/c1-20(2)5-9-15(11(26)6-20)14(16-17(21)23-19(31)24-18(16)22-9)8-3-12-13(30-7-29-12)4-10(8)25(27)28/h3-4,14H,5-7H2,1-2H3,(H4,21,22,23,24,31)