6-(11H-benzo[b][1]benzazepin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: 6-(11H-benzo[b][1]benzazepin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine Openeye Name: 6-(11H-benzo[b][1]benzazepin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine CAS Name: 6-(11H-benzo[b][1]benzazepin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 6-(11H-benzo[b][1]benzazepin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(11H-benzo[b][1]benzazepin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-yl]amine Formula: C22H18N6 MolecularWeight: 366.41852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(C=CC=C3N2)CC4=CN=C5C(=C4)C(=NC(=N5)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(C=CC=C3N2)CC4=CN=C5C(=C4)C(=NC(=N5)N)N

InChI

InChI=1S/C22H18N6/c23-20-17-11-13(12-25-21(17)28-22(24)27-20)10-15-5-3-7-19-16(15)9-8-14-4-1-2-6-18(14)26-19/h1-9,11-12,26H,10H2,(H4,23,24,25,27,28)