4-[4-[2,4-bis(azanyl)-6-propyl-pyrimidin-5-yl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2,4-bis(azanyl)-6-propyl-pyrimidin-5-yl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(2,4-diamino-6-propyl-pyrimidin-5-yl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(2,4-diamino-6-propyl-5-pyrimidinyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(2,4-diamino-6-propylpyrimidin-5-yl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(2,4-diamino-6-propyl-pyrimidin-5-yl)piperazino]benzoic acid Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H24N6O2/c1-2-3-14-15(16(19)22-18(20)21-14)24-10-8-23(9-11-24)13-6-4-12(5-7-13)17(25)26/h4-7H,2-3,8-11H2,1H3,(H,25,26)(H4,19,20,21,22)