4-[6-chloranyl-7-[(phenylmethyl)amino]-4-pyrrolidin-1-yl-pteridin-2-yl]piperazin-2-one

Systemtic Name: 4-[6-chloranyl-7-[(phenylmethyl)amino]-4-pyrrolidin-1-yl-pteridin-2-yl]piperazin-2-one Openeye Name: 4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-yl-pteridin-2-yl]piperazin-2-one CAS Name: 4-[6-chloro-7-[(phenylmethyl)amino]-4-(1-pyrrolidinyl)-2-pteridinyl]-2-piperazinone IUPAC Name: 4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-2-one Traditional Name: 4-[7-(benzylamino)-6-chloro-4-pyrrolidino-pteridin-2-yl]piperazin-2-one Formula: C21H23ClN8O MolecularWeight: 438.91332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCNC(=O)C5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCNC(=O)C5

InChI

InChI=1S/C21H23ClN8O/c22-17-19(24-12-14-6-2-1-3-7-14)26-18-16(25-17)20(29-9-4-5-10-29)28-21(27-18)30-11-8-23-15(31)13-30/h1-3,6-7H,4-5,8-13H2,(H,23,31)(H,24,26,27,28)