N-[6-azanyl-2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-azanyl-2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C18H21N5O3S MolecularWeight: 387.45604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5O3S/c19-15-14(21-16(25)11-6-2-1-3-7-11)17(26)23-18(22-15)27-10-13(24)20-12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2,(H,20,24)(H,21,25)(H3,19,22,23,26)