5-(11H-benzo[b][1]benzazepin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: 5-(11H-benzo[b][1]benzazepin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine Openeye Name: 5-(11H-benzo[b][1]benzazepin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-(11H-benzo[b][1]benzazepin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-(11H-benzo[b][1]benzazepin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(11H-benzo[b][1]benzazepin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C21H17N5S MolecularWeight: 371.45818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(C=CC=C3N2)CC4=CSC5=NC(=NC(=C45)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(C=CC=C3N2)CC4=CSC5=NC(=NC(=C45)N)N

InChI

InChI=1S/C21H17N5S/c22-19-18-14(11-27-20(18)26-21(23)25-19)10-13-5-3-7-17-15(13)9-8-12-4-1-2-6-16(12)24-17/h1-9,11,24H,10H2,(H4,22,23,25,26)