N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(1,2-benzoxazol-3-yl)-N-butyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(1,2-benzoxazol-3-yl)-N-butyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(1,2-benzoxazol-3-yl)-N-butyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(1,2-benzoxazol-3-yl)-N-butylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,2-benzoxazol-3-yl)-N-butylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-indoxazen-3-yl-acetamide Formula: C21H27N5O4 MolecularWeight: 413.47018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CC2=NOC3=CC=CC=C32)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CC2=NOC3=CC=CC=C32)N

InChI

InChI=1S/C21H27N5O4/c1-3-5-11-25(17(27)13-15-14-9-7-8-10-16(14)30-24-15)18-19(22)26(12-6-4-2)21(29)23-20(18)28/h7-10H,3-6,11-13,22H2,1-2H3,(H,23,28,29)