5-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide; quinazoline

Systemtic Name: 5-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide; quinazoline Openeye Name: 5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide; quinazoline CAS Name: 5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]-2-pyridinecarboxamide; quinazoline IUPAC Name: 5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide; quinazoline Traditional Name: 5-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-(3-nitrobenzyl)picolinamide; quinazoline Formula: C34H28N8O4 MolecularWeight: 612.63732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CN=C(C=C3)C(=O)NCC4=CC(=CC=C4)[N+](=O)[O-].C1=CC=C2C(=C1)C=NC=N2

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CN=C(C=C3)C(=O)NCC4=CC(=CC=C4)[N+](=O)[O-].C1=CC=C2C(=C1)C=NC=N2

InChI

InChI=1S/C26H22N6O4.C8H6N2/c1-3-11-31(16-19-7-9-23-22(13-19)25(33)30-17(2)29-23)21-8-10-24(27-15-21)26(34)28-14-18-5-4-6-20(12-18)32(35)36;1-2-4-8-7(3-1)5-9-6-10-8/h1,4-10,12-13,15H,11,14,16H2,2H3,(H,28,34)(H,29,30,33);1-6H