tert-butyl 4-[2,7-bis(azanyl)-6-phenyl-pteridin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2,7-bis(azanyl)-6-phenyl-pteridin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2,7-diamino-6-phenyl-pteridin-4-yl)piperazine-1-carboxylate CAS Name: 4-(2,7-diamino-6-phenyl-4-pteridinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,7-diamino-6-phenylpteridin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2,7-diamino-6-phenyl-pteridin-4-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26N8O2 MolecularWeight: 422.48354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC3=C2N=C(C(=N3)N)C4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC3=C2N=C(C(=N3)N)C4=CC=CC=C4)N

InChI

InChI=1S/C21H26N8O2/c1-21(2,3)31-20(30)29-11-9-28(10-12-29)18-15-17(26-19(23)27-18)25-16(22)14(24-15)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H4,22,23,25,26,27)