N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC4=C(S3)CCCCC4

Isomeric SMILES

COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC4=C(S3)CCCCC4

InChI

InChI=1S/C24H28N4O4S/c1-32-13-12-27(23(30)19-14-17-10-6-3-7-11-18(17)33-19)20-21(25)28(24(31)26-22(20)29)15-16-8-4-2-5-9-16/h2,4-5,8-9,14H,3,6-7,10-13,15,25H2,1H3,(H,26,29,31)