6,7-dimethoxy-N4-(phenylmethyl)-N2-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine

Systemtic Name: 6,7-dimethoxy-N4-(phenylmethyl)-N2-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine Openeye Name: N4-benzyl-6,7-dimethoxy-N2-[3-(1-piperidyl)propyl]quinazoline-2,4-diamine CAS Name: 6,7-dimethoxy-N4-(phenylmethyl)-N2-[3-(1-piperidinyl)propyl]quinazoline-2,4-diamine IUPAC Name: 4-N-benzyl-6,7-dimethoxy-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine Traditional Name: benzyl-[6,7-dimethoxy-2-(3-piperidinopropylamino)quinazolin-4-yl]amine Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)NCCCN3CCCCC3)NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)NCCCN3CCCCC3)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H33N5O2/c1-31-22-16-20-21(17-23(22)32-2)28-25(26-12-9-15-30-13-7-4-8-14-30)29-24(20)27-18-19-10-5-3-6-11-19/h3,5-6,10-11,16-17H,4,7-9,12-15,18H2,1-2H3,(H2,26,27,28,29)