1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-(2-pyrimidyl)piperazino]butane-1,4-dione Formula: C21H25N5O3 MolecularWeight: 395.4549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCCN2C(=O)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)OCCN2C(=O)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H25N5O3/c1-16-3-4-18-17(15-16)26(13-14-29-18)20(28)6-5-19(27)24-9-11-25(12-10-24)21-22-7-2-8-23-21/h2-4,7-8,15H,5-6,9-14H2,1H3