4-[(9-cyclopentyl-5-ethyl-7,7-dimethyl-6-oxidanylidene-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-methyl-benzamide

Systemtic Name: 4-[(9-cyclopentyl-5-ethyl-7,7-dimethyl-6-oxidanylidene-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-methyl-benzamide Openeye Name: 4-[(9-cyclopentyl-5-ethyl-7,7-dimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-methyl-benzamide CAS Name: 4-[(9-cyclopentyl-5-ethyl-7,7-dimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-methylbenzamide IUPAC Name: 4-[(9-cyclopentyl-5-ethyl-7,7-dimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-methylbenzamide Traditional Name: 4-[(9-cyclopentyl-5-ethyl-6-keto-7,7-dimethyl-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-methyl-benzamide Formula: C25H34N6O3 MolecularWeight: 466.57586

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CN=C(N=C2N(CC(C1=O)(C)C)C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC)OC

Isomeric SMILES

CCN1C2=CN=C(N=C2N(CC(C1=O)(C)C)C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC)OC

InChI

InChI=1S/C25H34N6O3/c1-6-30-19-14-27-24(28-18-12-11-16(22(32)26-4)13-20(18)34-5)29-21(19)31(17-9-7-8-10-17)15-25(2,3)23(30)33/h11-14,17H,6-10,15H2,1-5H3,(H,26,32)(H,27,28,29)