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

Systemtic Name: 1-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenyl]urea Openeye Name: [4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]urea CAS Name: [4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]urea IUPAC Name: [4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]urea Traditional Name: [4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)phenyl]urea Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O3/c1-3-9-23-15-13(16(25)24(10-4-2)18(23)27)21-14(22-15)11-5-7-12(8-6-11)20-17(19)26/h5-8H,3-4,9-10H2,1-2H3,(H,21,22)(H3,19,20,26)