N-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide; quinazoline

Systemtic Name: N-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide; quinazoline Openeye Name: N-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide; quinazoline CAS Name: N-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide; quinazoline IUPAC Name: N-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide; quinazoline Traditional Name: N-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl]-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide; quinazoline Formula: C38H32N8O3 MolecularWeight: 648.71248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CNC(=O)C3=CC=C(C=C3)N(CC#C)CC4=CC5=C(C=C4)NC(=NC5=O)C.C1=CC=C2C(=C1)C=NC=N2

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CNC(=O)C3=CC=C(C=C3)N(CC#C)CC4=CC5=C(C=C4)NC(=NC5=O)C.C1=CC=C2C(=C1)C=NC=N2

InChI

InChI=1S/C30H26N6O3.C8H6N2/c1-4-13-36(17-21-6-12-27-25(15-21)30(39)35-19(3)33-27)23-9-7-22(8-10-23)28(37)31-16-20-5-11-26-24(14-20)29(38)34-18(2)32-26;1-2-4-8-7(3-1)5-9-6-10-8/h1,5-12,14-15H,13,16-17H2,2-3H3,(H,31,37)(H,32,34,38)(H,33,35,39);1-6H