1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-phenylpiperidin-4-yl)methyl]-4H-quinazoline-2,4-diamine

Systemtic Name: 1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-phenylpiperidin-4-yl)methyl]-4H-quinazoline-2,4-diamine Openeye Name: 1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-phenyl-4-piperidyl)methyl]-4H-quinazoline-2,4-diamine CAS Name: 1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-phenyl-4-piperidinyl)methyl]-4H-quinazoline-2,4-diamine IUPAC Name: 1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-phenylpiperidin-4-yl)methyl]-4H-quinazoline-2,4-diamine Traditional Name: [2-amino-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-phenyl-4-piperidyl)methyl]-4H-quinazolin-4-yl]amine Formula: C29H33N5O2 MolecularWeight: 483.60462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1CN3C4=CC=CC(=C4C(N=C3N)N)CC5(CCNCC5)C6=CC=CC=C6)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1CN3C4=CC=CC(=C4C(N=C3N)N)CC5(CCNCC5)C6=CC=CC=C6)OCO2

InChI

InChI=1S/C29H33N5O2/c1-19-14-24-25(36-18-35-24)15-21(19)17-34-23-9-5-6-20(26(23)27(30)33-28(34)31)16-29(10-12-32-13-11-29)22-7-3-2-4-8-22/h2-9,14-15,27,32H,10-13,16-18,30H2,1H3,(H2,31,33)