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

Systemtic Name: 1-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenyl]-1,3-dimethyl-urea Openeye Name: 1-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]-1,3-dimethyl-urea CAS Name: 1-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]-1,3-dimethylurea IUPAC Name: 1-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]-1,3-dimethylurea Traditional Name: 1-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)phenyl]-1,3-dimethyl-urea Formula: C20H26N6O3 MolecularWeight: 398.45884

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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)N(C)C(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O3/c1-5-11-25-17-15(18(27)26(12-6-2)20(25)29)22-16(23-17)13-7-9-14(10-8-13)24(4)19(28)21-3/h7-10H,5-6,11-12H2,1-4H3,(H,21,28)(H,22,23)