N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-[2-(2-thienyl)pyrrolidin-1-yl]acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-2-(2-thiophen-2-yl-1-pyrrolidinyl)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-[2-(2-thienyl)pyrrolidino]acetamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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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)CN3CCCC3C4=CC=CS4

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCCC3C4=CC=CS4

InChI

InChI=1S/C25H31N5O3S/c1-2-3-14-29(21(31)17-28-13-7-11-19(28)20-12-8-15-34-20)22-23(26)30(25(33)27-24(22)32)16-18-9-5-4-6-10-18/h4-6,8-10,12,15,19H,2-3,7,11,13-14,16-17,26H2,1H3,(H,27,32,33)