N-[4,6-bis(azanyl)pyrimidin-5-yl]-4-(4-phenylbutyl)benzamide

Systemtic Name: N-[4,6-bis(azanyl)pyrimidin-5-yl]-4-(4-phenylbutyl)benzamide Openeye Name: N-(4,6-diaminopyrimidin-5-yl)-4-(4-phenylbutyl)benzamide CAS Name: N-(4,6-diamino-5-pyrimidinyl)-4-(4-phenylbutyl)benzamide IUPAC Name: N-(4,6-diaminopyrimidin-5-yl)-4-(4-phenylbutyl)benzamide Traditional Name: N-(4,6-diaminopyrimidin-5-yl)-4-(4-phenylbutyl)benzamide Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=CC=C(C=C2)C(=O)NC3=C(N=CN=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=CC=C(C=C2)C(=O)NC3=C(N=CN=C3N)N

InChI

InChI=1S/C21H23N5O/c22-19-18(20(23)25-14-24-19)26-21(27)17-12-10-16(11-13-17)9-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-14H,4-5,8-9H2,(H,26,27)(H4,22,23,24,25)