6-[[1-[2-(methylamino)-4-(propylamino)quinazolin-7-yl]pyrrol-3-yl]methylamino]-1-piperidin-1-yl-hexan-1-one

Systemtic Name: 6-[[1-[2-(methylamino)-4-(propylamino)quinazolin-7-yl]pyrrol-3-yl]methylamino]-1-piperidin-1-yl-hexan-1-one Openeye Name: 6-[[1-[2-(methylamino)-4-(propylamino)quinazolin-7-yl]pyrrol-3-yl]methylamino]-1-(1-piperidyl)hexan-1-one CAS Name: 6-[[1-[2-(methylamino)-4-(propylamino)-7-quinazolinyl]-3-pyrrolyl]methylamino]-1-(1-piperidinyl)-1-hexanone IUPAC Name: 6-[[1-[2-(methylamino)-4-(propylamino)quinazolin-7-yl]pyrrol-3-yl]methylamino]-1-piperidin-1-ylhexan-1-one Traditional Name: 6-[[1-[2-(methylamino)-4-(propylamino)quinazolin-7-yl]pyrrol-3-yl]methylamino]-1-piperidino-hexan-1-one Formula: C28H41N7O MolecularWeight: 491.67144

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC2=C1C=CC(=C2)N3C=CC(=C3)CNCCCCCC(=O)N4CCCCC4)NC

Isomeric SMILES

CCCNC1=NC(=NC2=C1C=CC(=C2)N3C=CC(=C3)CNCCCCCC(=O)N4CCCCC4)NC

InChI

InChI=1S/C28H41N7O/c1-3-14-31-27-24-12-11-23(19-25(24)32-28(29-2)33-27)35-18-13-22(21-35)20-30-15-7-4-6-10-26(36)34-16-8-5-9-17-34/h11-13,18-19,21,30H,3-10,14-17,20H2,1-2H3,(H2,29,31,32,33)