3-azanyl-N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-7-methyl-thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-7-methyl-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(2,4-dioxo-1H-pyrimidin-5-yl)-7-methyl-thieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(2,4-dioxo-1H-pyrimidin-5-yl)-7-methyl-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: 3-amino-N-(2,4-dioxo-1H-pyrimidin-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(2,4-diketo-1H-pyrimidin-5-yl)-7-methyl-thieno[2,3-b]quinoline-2-carboxamide Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NC4=CNC(=O)NC4=O)N

Isomeric SMILES

CC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NC4=CNC(=O)NC4=O)N

InChI

InChI=1S/C17H13N5O3S/c1-7-2-3-8-5-9-12(18)13(26-16(9)21-10(8)4-7)15(24)20-11-6-19-17(25)22-14(11)23/h2-6H,18H2,1H3,(H,20,24)(H2,19,22,23,25)