N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-1,3-benzothiazole-6-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-1,3-benzothiazole-6-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-1,3-benzothiazole-6-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-1,3-benzothiazole-6-carboxamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C23H23N5O3S/c1-2-3-11-27(22(30)16-9-10-17-18(12-16)32-14-25-17)19-20(24)28(23(31)26-21(19)29)13-15-7-5-4-6-8-15/h4-10,12,14H,2-3,11,13,24H2,1H3,(H,26,29,31)