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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(1,2-benzoxazol-3-yl)-N-pentyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(1,2-benzoxazol-3-yl)-N-pentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(1,2-benzoxazol-3-yl)-N-pentylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,2-benzoxazol-3-yl)-N-pentylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-2-indoxazen-3-yl-acetamide Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CC2=NOC3=CC=CC=C32

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CC2=NOC3=CC=CC=C32

InChI

InChI=1S/C22H29N5O4/c1-3-5-9-13-26(18(28)14-16-15-10-7-8-11-17(15)31-25-16)19-20(23)27(12-6-4-2)22(30)24-21(19)29/h7-8,10-11H,3-6,9,12-14,23H2,1-2H3,(H,24,29,30)