5-azanyl-3-methoxy-N,N-dimethyl-2-[4-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-4-(7H-purin-6-ylcarbonyl)benzamide

Systemtic Name: 5-azanyl-3-methoxy-N,N-dimethyl-2-[4-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-4-(7H-purin-6-ylcarbonyl)benzamide Openeye Name: 5-amino-3-methoxy-N,N-dimethyl-2-[4-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]-4-(7H-purine-6-carbonyl)benzamide CAS Name: 5-amino-3-methoxy-N,N-dimethyl-2-[4-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]-4-[oxo(7H-purin-6-yl)methyl]benzamide IUPAC Name: 5-amino-3-methoxy-N,N-dimethyl-2-[4-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]-4-(7H-purine-6-carbonyl)benzamide Traditional Name: 5-amino-2-[4-[6-keto-6-(4-methylpiperazino)hexoxy]phenyl]-3-methoxy-N,N-dimethyl-4-(7H-purine-6-carbonyl)benzamide Formula: C33H40N8O5 MolecularWeight: 628.7213

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCCCOC2=CC=C(C=C2)C3=C(C(=C(C=C3C(=O)N(C)C)N)C(=O)C4=C5C(=NC=N4)N=CN5)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCCCOC2=CC=C(C=C2)C3=C(C(=C(C=C3C(=O)N(C)C)N)C(=O)C4=C5C(=NC=N4)N=CN5)OC

InChI

InChI=1S/C33H40N8O5/c1-39(2)33(44)23-18-24(34)27(30(43)28-29-32(37-19-35-28)38-20-36-29)31(45-4)26(23)21-9-11-22(12-10-21)46-17-7-5-6-8-25(42)41-15-13-40(3)14-16-41/h9-12,18-20H,5-8,13-17,34H2,1-4H3,(H,35,36,37,38)