4-[(2-phenylmethoxy-3H-benzimidazol-5-yl)amino]-1,2,8,8a-tetrahydropyrido[3,4-d]pyrimidine-2-carboxamide

Systemtic Name: 4-[(2-phenylmethoxy-3H-benzimidazol-5-yl)amino]-1,2,8,8a-tetrahydropyrido[3,4-d]pyrimidine-2-carboxamide Openeye Name: 4-[(2-benzyloxy-3H-benzimidazol-5-yl)amino]-1,2,8,8a-tetrahydropyrido[3,4-d]pyrimidine-2-carboxamide CAS Name: 4-[(2-phenylmethoxy-3H-benzimidazol-5-yl)amino]-1,2,8,8a-tetrahydropyrido[3,4-d]pyrimidine-2-carboxamide IUPAC Name: 4-[(2-phenylmethoxy-3H-benzimidazol-5-yl)amino]-1,2,8,8a-tetrahydropyrido[3,4-d]pyrimidine-2-carboxamide Traditional Name: 4-[(2-benzoxy-3H-benzimidazol-5-yl)amino]-1,2,8,8a-tetrahydropyrido[3,4-d]pyrimidine-2-carboxamide Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(=CC=N1)C(=NC(N2)C(=O)N)NC3=CC4=C(C=C3)N=C(N4)OCC5=CC=CC=C5

Isomeric SMILES

C1C2C(=CC=N1)C(=NC(N2)C(=O)N)NC3=CC4=C(C=C3)N=C(N4)OCC5=CC=CC=C5

InChI

InChI=1S/C22H21N7O2/c23-19(30)21-26-18-11-24-9-8-15(18)20(29-21)25-14-6-7-16-17(10-14)28-22(27-16)31-12-13-4-2-1-3-5-13/h1-10,18,21,26H,11-12H2,(H2,23,30)(H,25,29)(H,27,28)