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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)N)N=C(C(=N3)N)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)N)N=C(C(=N3)N)C4=CC=CC=C4

InChI

InChI=1S/C21H26N8O2/c1-21(2,3)31-20(30)29-11-9-28(10-12-29)19-26-17(23)15-18(27-19)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)