2-[[6-[(3,4-dimethoxyphenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide Openeye Name: 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-N-phenyl-thiazole-5-carboxamide CAS Name: 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-7-ethyl-2-purinyl]amino]-4-methyl-N-phenyl-5-thiazolecarboxamide IUPAC Name: 2-[[6-[(3,4-dimethoxyphenyl)methylamino]-7-ethylpurin-2-yl]amino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide Traditional Name: 2-[[7-ethyl-6-(veratrylamino)purin-2-yl]amino]-4-methyl-N-phenyl-thiazole-5-carboxamide Formula: C27H28N8O3S MolecularWeight: 544.62802

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)NC4=CC=CC=C4)C)NCC5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)NC4=CC=CC=C4)C)NCC5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C27H28N8O3S/c1-5-35-15-29-24-21(35)23(28-14-17-11-12-19(37-3)20(13-17)38-4)32-26(33-24)34-27-30-16(2)22(39-27)25(36)31-18-9-7-6-8-10-18/h6-13,15H,5,14H2,1-4H3,(H,31,36)(H2,28,30,32,33,34)