5-[3-methoxy-4-[2-[4-[4-(quinolin-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]ethoxy]phenyl]-N4-quinolin-3-yl-pyrimidine-2,4-diamine

Systemtic Name: 5-[3-methoxy-4-[2-[4-[4-(quinolin-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]ethoxy]phenyl]-N4-quinolin-3-yl-pyrimidine-2,4-diamine Openeye Name: 5-[3-methoxy-4-[2-[4-[4-(3-quinolylamino)pyrimidin-2-yl]piperazin-1-yl]ethoxy]phenyl]-N4-(3-quinolyl)pyrimidine-2,4-diamine CAS Name: 5-[3-methoxy-4-[2-[4-[4-(3-quinolinylamino)-2-pyrimidinyl]-1-piperazinyl]ethoxy]phenyl]-N4-(3-quinolinyl)pyrimidine-2,4-diamine IUPAC Name: 5-[3-methoxy-4-[2-[4-[4-(quinolin-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]ethoxy]phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-methoxy-4-[2-[4-[4-(3-quinolylamino)pyrimidin-2-yl]piperazino]ethoxy]phenyl]pyrimidin-4-yl]-(3-quinolyl)amine Formula: C39H37N11O2 MolecularWeight: 691.78358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CN=C(N=C2NC3=CC4=CC=CC=C4N=C3)N)OCCN5CCN(CC5)C6=NC=CC(=N6)NC7=CC8=CC=CC=C8N=C7

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CN=C(N=C2NC3=CC4=CC=CC=C4N=C3)N)OCCN5CCN(CC5)C6=NC=CC(=N6)NC7=CC8=CC=CC=C8N=C7

InChI

InChI=1S/C39H37N11O2/c1-51-35-22-26(31-25-44-38(40)48-37(31)46-30-21-28-7-3-5-9-33(28)43-24-30)10-11-34(35)52-19-18-49-14-16-50(17-15-49)39-41-13-12-36(47-39)45-29-20-27-6-2-4-8-32(27)42-23-29/h2-13,20-25H,14-19H2,1H3,(H,41,45,47)(H3,40,44,46,48)