N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(phenylmethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(phenylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-benzothiophene-2-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(phenylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-1-benzothiophene-2-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-benzothiophene-2-carboxamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CC3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5S4)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CC3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5S4)N

InChI

InChI=1S/C27H22N4O3S/c28-24-23(25(32)29-27(34)31(24)17-19-11-5-2-6-12-19)30(16-18-9-3-1-4-10-18)26(33)22-15-20-13-7-8-14-21(20)35-22/h1-15H,16-17,28H2,(H,29,32,34)