1-[[2,5-dimethyl-1-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrrol-3-yl]methylideneamino]thiourea

Systemtic Name: 1-[[2,5-dimethyl-1-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrrol-3-yl]methylideneamino]thiourea Openeye Name: [[2,5-dimethyl-1-(2-methyl-4-oxo-quinazolin-3-yl)pyrrol-3-yl]methyleneamino]thiourea CAS Name: [[2,5-dimethyl-1-(2-methyl-4-oxo-3-quinazolinyl)-3-pyrrolyl]methylideneamino]thiourea IUPAC Name: [[2,5-dimethyl-1-(2-methyl-4-oxoquinazolin-3-yl)pyrrol-3-yl]methylideneamino]thiourea Traditional Name: [[1-(4-keto-2-methyl-quinazolin-3-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]thiourea Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1N2C(=NC3=CC=CC=C3C2=O)C)C)C=NNC(=S)N

Isomeric SMILES

CC1=CC(=C(N1N2C(=NC3=CC=CC=C3C2=O)C)C)C=NNC(=S)N

InChI

InChI=1S/C17H18N6OS/c1-10-8-13(9-19-21-17(18)25)11(2)22(10)23-12(3)20-15-7-5-4-6-14(15)16(23)24/h4-9H,1-3H3,(H3,18,21,25)