(phenylmethyl) 2-[2-azanyl-7-(4-azanyl-4-oxidanylidene-3-piperidin-1-yl-butoxy)-4H-quinazolin-3-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-azanyl-7-(4-azanyl-4-oxidanylidene-3-piperidin-1-yl-butoxy)-4H-quinazolin-3-yl]ethanoate Openeye Name: benzyl 2-[2-amino-7-[4-amino-4-oxo-3-(1-piperidyl)butoxy]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-7-[4-amino-4-oxo-3-(1-piperidinyl)butoxy]-4H-quinazolin-3-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-amino-7-(4-amino-4-oxo-3-piperidin-1-ylbutoxy)-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-7-(4-amino-4-keto-3-piperidino-butoxy)-4H-quinazolin-3-yl]acetic acid benzyl ester Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CCOC2=CC3=C(CN(C(=N3)N)CC(=O)OCC4=CC=CC=C4)C=C2)C(=O)N

Isomeric SMILES

C1CCN(CC1)C(CCOC2=CC3=C(CN(C(=N3)N)CC(=O)OCC4=CC=CC=C4)C=C2)C(=O)N

InChI

InChI=1S/C26H33N5O4/c27-25(33)23(30-12-5-2-6-13-30)11-14-34-21-10-9-20-16-31(26(28)29-22(20)15-21)17-24(32)35-18-19-7-3-1-4-8-19/h1,3-4,7-10,15,23H,2,5-6,11-14,16-18H2,(H2,27,33)(H2,28,29)