4-[ethyl(methyl)amino]-N-[(3S)-1-[6-[(4-morpholin-4-ylcarbonylphenyl)amino]-7H-purin-2-yl]piperidin-3-yl]benzamide

Systemtic Name: 4-[ethyl(methyl)amino]-N-[(3S)-1-[6-[(4-morpholin-4-ylcarbonylphenyl)amino]-7H-purin-2-yl]piperidin-3-yl]benzamide Openeye Name: 4-[ethyl(methyl)amino]-N-[(3S)-1-[6-[4-(morpholine-4-carbonyl)anilino]-7H-purin-2-yl]-3-piperidyl]benzamide CAS Name: 4-[ethyl(methyl)amino]-N-[(3S)-1-[6-[4-[4-morpholinyl(oxo)methyl]anilino]-7H-purin-2-yl]-3-piperidinyl]benzamide IUPAC Name: 4-[ethyl(methyl)amino]-N-[(3S)-1-[6-[4-(morpholine-4-carbonyl)anilino]-7H-purin-2-yl]piperidin-3-yl]benzamide Traditional Name: 4-[ethyl(methyl)amino]-N-[(3S)-1-[6-[4-(morpholine-4-carbonyl)anilino]-7H-purin-2-yl]-3-piperidyl]benzamide Formula: C31H37N9O3 MolecularWeight: 583.68398

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C1=CC=C(C=C1)C(=O)NC2CCCN(C2)C3=NC4=C(C(=N3)NC5=CC=C(C=C5)C(=O)N6CCOCC6)NC=N4

Isomeric SMILES

CCN(C)C1=CC=C(C=C1)C(=O)N[C@H]2CCCN(C2)C3=NC4=C(C(=N3)NC5=CC=C(C=C5)C(=O)N6CCOCC6)NC=N4

InChI

InChI=1S/C31H37N9O3/c1-3-38(2)25-12-8-21(9-13-25)29(41)35-24-5-4-14-40(19-24)31-36-27-26(32-20-33-27)28(37-31)34-23-10-6-22(7-11-23)30(42)39-15-17-43-18-16-39/h6-13,20,24H,3-5,14-19H2,1-2H3,(H,35,41)(H2,32,33,34,36,37)/t24-/m0/s1