1-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenyl]-1-methyl-urea

Systemtic Name: 1-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenyl]-1-methyl-urea Openeye Name: 1-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]-1-methyl-urea CAS Name: 1-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]-1-methylurea IUPAC Name: 1-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]-1-methylurea Traditional Name: 1-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)phenyl]-1-methyl-urea Formula: C19H24N6O3 MolecularWeight: 384.43226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)N(C)C(=O)N

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)N(C)C(=O)N

InChI

InChI=1S/C19H24N6O3/c1-4-10-24-16-14(17(26)25(11-5-2)19(24)28)21-15(22-16)12-6-8-13(9-7-12)23(3)18(20)27/h6-9H,4-5,10-11H2,1-3H3,(H2,20,27)(H,21,22)