N-[4-[[3-butyl-2,6-bis(oxidanylidene)-1-prop-2-ynyl-7H-purin-8-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[3-butyl-2,6-bis(oxidanylidene)-1-prop-2-ynyl-7H-purin-8-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[(3-butyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)methyl]phenyl]acetamide CAS Name: N-[4-[(3-butyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)methyl]phenyl]acetamide IUPAC Name: N-[4-[(3-butyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)methyl]phenyl]acetamide Traditional Name: N-[4-[(3-butyl-2,6-diketo-1-propargyl-7H-purin-8-yl)methyl]phenyl]acetamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC#C)NC(=N2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC#C)NC(=N2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H23N5O3/c1-4-6-12-25-19-18(20(28)26(11-5-2)21(25)29)23-17(24-19)13-15-7-9-16(10-8-15)22-14(3)27/h2,7-10H,4,6,11-13H2,1,3H3,(H,22,27)(H,23,24)