aminomethyl 2-[2-[pentanoyl(propylamino)amino]pyrimidin-4-yl]benzoate; benzene

Systemtic Name: aminomethyl 2-[2-[pentanoyl(propylamino)amino]pyrimidin-4-yl]benzoate; benzene Openeye Name: aminomethyl 2-[2-[pentanoyl(propylamino)amino]pyrimidin-4-yl]benzoate; benzene CAS Name: benzene; 2-[2-[1-oxopentyl(propylamino)amino]-4-pyrimidinyl]benzoic acid aminomethyl ester IUPAC Name: aminomethyl 2-[2-[pentanoyl(propylamino)amino]pyrimidin-4-yl]benzoate; benzene Traditional Name: benzene; 2-[2-[propylamino(valeryl)amino]pyrimidin-4-yl]benzoic acid aminomethyl ester Formula: C26H33N5O3 MolecularWeight: 463.57192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(C1=NC=CC(=N1)C2=CC=CC=C2C(=O)OCN)NCCC.C1=CC=CC=C1

Isomeric SMILES

CCCCC(=O)N(C1=NC=CC(=N1)C2=CC=CC=C2C(=O)OCN)NCCC.C1=CC=CC=C1

InChI

InChI=1S/C20H27N5O3.C6H6/c1-3-5-10-18(26)25(23-12-4-2)20-22-13-11-17(24-20)15-8-6-7-9-16(15)19(27)28-14-21;1-2-4-6-5-3-1/h6-9,11,13,23H,3-5,10,12,14,21H2,1-2H3;1-6H